Automatic recalibration and processing of tandem mass spectra using formula annotation

Highly Accurate Chemical Formula Prediction Tool Utilizing High-Resolution Mass Spectra, MS/MS Fragmentation, Heuristic Rules, and Isotope Pattern Matching

(2012) Tomáš Pluskal et al.   ANALYTICAL CHEMISTRY

Mass Spectral Reference Libraries: An Ever-Expanding Resource for Chemical Identification

(2012) Stephen Stein   ANALYTICAL CHEMISTRY

Reactions of Doubly Ionized Benzene with Nitrogen and Water: A Nitrogen-Mediated Entry into Superacid Chemistry

(2012) Christopher J. Shaffer et al.   CHEMPHYSCHEM

Accuracy of relative isotopic abundance and mass measurements in a single-stage orbitrap mass spectrometer

(2012) A. Kaufmann et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Elemental composition determination based on MSn

(2011) Miguel Rojas-Chertó et al.   BIOINFORMATICS

Spectral archives: extending spectral libraries to analyze both identified and unidentified spectra

(2011) Ari M Frank et al.   NATURE METHODS

Computing Fragmentation Trees from Tandem Mass Spectrometry Data

(2010) Florian Rasche et al.   ANALYTICAL CHEMISTRY

The Chemical Translation Service--a web-based tool to improve standardization of metabolomic reports

(2010) G. Wohlgemuth et al.   BIOINFORMATICS

In silico fragmentation for computer assisted identification of metabolite mass spectra

(2010) Sebastian Wolf et al.   BMC BIOINFORMATICS

MassBank: a public repository for sharing mass spectral data for life sciences

(2010) Hisayuki Horai et al.   JOURNAL OF MASS SPECTROMETRY

mzML—a Community Standard for Mass Spectrometry Data

(2010) Lennart Martens et al.   MOLECULAR & CELLULAR PROTEOMICS

ProteoWizard: open source software for rapid proteomics tools development

(2008) Darren Kessner et al.   BIOINFORMATICS

Metabolome Analysis of Biosynthetic Mutants Reveals a Diversity of Metabolic Changes and Allows Identification of a Large Number of New Compounds in Arabidopsis

(2008) C. Bottcher et al.   PLANT PHYSIOLOGY